3-(6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-6-methyl-1H-pyridin-2-one

C14H18N2O2 — CID 84584778

IUPAC3-(6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-6-methyl-1H-pyridin-2-one
SMILESCc1ccc(C(=O)N2CC3C(C2)C3(C)C)c(=O)[nH]1
InChIInChI=1S/C14H18N2O2/c1-8-4-5-9(12(17)15-8)13(18)16-6-10-11(7-16)14(10,2)3/h4-5,10-11H,6-7H2,1-3H3,(H,15,17)
InChIKeyCVJGBOQOFHEHQN-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.41
Rot. Bonds1

About 3-(6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-6-methyl-1H-pyridin-2-one

3-(6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-6-methyl-1H-pyridin-2-one (PubChem CID 84584778) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-(6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-6-methyl-1H-pyridin-2-one
PubChem CID84584778
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name3-(6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-6-methyl-1H-pyridin-2-one
SMILESCc1ccc(C(=O)N2CC3C(C2)C3(C)C)c(=O)[nH]1
InChIInChI=1S/C14H18N2O2/c1-8-4-5-9(12(17)15-8)13(18)16-6-10-11(7-16)14(10,2)3/h4-5,10-11H,6-7H2,1-3H3,(H,15,17)
InChIKeyCVJGBOQOFHEHQN-UHFFFAOYSA-N
XLogP1.41
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-(6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-6-methyl-1H-pyridin-2-one (CID 84584778) is 3-(6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-(6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-(6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-6-methyl-1H-pyridin-2-one is Cc1ccc(C(=O)N2CC3C(C2)C3(C)C)c(=O)[nH]1.
What is the InChIKey of 3-(6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-6-methyl-1H-pyridin-2-one?
The InChIKey is CVJGBOQOFHEHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-8-4-5-9(12(17)15-8)13(18)16-6-10-11(7-16)14(10,2)3/h4-5,10-11H,6-7H2,1-3H3,(H,15,17).
What are the key properties of 3-(6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-6-methyl-1H-pyridin-2-one?
3-(6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-6-methyl-1H-pyridin-2-one has a molecular weight of 246.31 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 84584778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).